6-bromo-2-methoxy-2,5-dimethylheptane

C10H21BrO — CID 103036506

IUPAC6-bromo-2-methoxy-2,5-dimethylheptane
SMILESCOC(C)(C)CCC(C)C(C)Br
InChIInChI=1S/C10H21BrO/c1-8(9(2)11)6-7-10(3,4)12-5/h8-9H,6-7H2,1-5H3
InChIKeyHAWNQLDVLQZHCF-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.61
Rot. Bonds5

About 6-bromo-2-methoxy-2,5-dimethylheptane

6-bromo-2-methoxy-2,5-dimethylheptane (PubChem CID 103036506) has the molecular formula C10H21BrO and a molecular weight of 237.18 g/mol. Its IUPAC name is 6-bromo-2-methoxy-2,5-dimethylheptane.

Molecular Properties

Compound Name6-bromo-2-methoxy-2,5-dimethylheptane
PubChem CID103036506
Molecular FormulaC10H21BrO
Molecular Weight237.18 g/mol
Exact Mass236.08
IUPAC Name6-bromo-2-methoxy-2,5-dimethylheptane
SMILESCOC(C)(C)CCC(C)C(C)Br
InChIInChI=1S/C10H21BrO/c1-8(9(2)11)6-7-10(3,4)12-5/h8-9H,6-7H2,1-5H3
InChIKeyHAWNQLDVLQZHCF-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-bromo-2-methoxy-2,5-dimethylheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-6-methoxy-3,6-dimethylheptan-2-amine
CID 103034557
7-bromo-2-methoxy-2,8-dimethylnonane
CID 103037609
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
6-methoxy-3,6-dimethylheptan-1-amine
CID 103019673
5-(bromomethyl)-2-methoxy-2-methylheptane
CID 103018464
5-methoxy-2,5-dimethyl-1-phenylhexan-1-ol
CID 103036478
5-methoxy-N-(2-methoxyethyl)-2,5-dimethylhexan-1-amine
CID 103036807
3-ethyl-3,7-dimethoxy-N,7-dimethyloctan-4-amine
CID 103036101
2,7-dimethoxy-N,2,7-trimethyloctan-4-amine
CID 103031280
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
(2,6-dimethoxy-6-methylheptan-3-yl)hydrazine
CID 103026551
ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-2,5-dimethylheptane?
The IUPAC name of 6-bromo-2-methoxy-2,5-dimethylheptane (CID 103036506) is 6-bromo-2-methoxy-2,5-dimethylheptane.
What is the SMILES notation for 6-bromo-2-methoxy-2,5-dimethylheptane?
The canonical SMILES for 6-bromo-2-methoxy-2,5-dimethylheptane is COC(C)(C)CCC(C)C(C)Br.
What is the InChIKey of 6-bromo-2-methoxy-2,5-dimethylheptane?
The InChIKey is HAWNQLDVLQZHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO/c1-8(9(2)11)6-7-10(3,4)12-5/h8-9H,6-7H2,1-5H3.
What are the key properties of 6-bromo-2-methoxy-2,5-dimethylheptane?
6-bromo-2-methoxy-2,5-dimethylheptane has a molecular weight of 237.18 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-2,5-dimethylheptane is sourced from PubChem (CID 103036506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).